CID 135429905

82843-14-9

Structural Information

Molecular Formula
C16H24N2O2S
SMILES
CCC1=C(SC2=C(C1=O)C(=NCC(C)C)CC(N2)(C)C)O
InChI
InChI=1S/C16H24N2O2S/c1-6-10-13(19)12-11(17-8-9(2)3)7-16(4,5)18-14(12)21-15(10)20/h9,18,20H,6-8H2,1-5H3
InChIKey
RQHZWUBJAOVEQH-UHFFFAOYSA-N
Compound name
3-ethyl-2-hydroxy-7,7-dimethyl-5-(2-methylpropylimino)-6,8-dihydrothiopyrano[2,3-b]pyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.15585 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.16313 169.1
[M+Na]+ 331.14507 177.0
[M-H]- 307.14857 170.8
[M+NH4]+ 326.18967 186.1
[M+K]+ 347.11901 172.0
[M+H-H2O]+ 291.15311 163.3
[M+HCOO]- 353.15405 180.8
[M+CH3COO]- 367.16970 207.6
[M+Na-2H]- 329.13052 169.5
[M]+ 308.15530 170.8
[M]- 308.15640 170.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.